Basic information
- CAS
20362-31-6- Standard SMILES
COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC- InChIKey
XOJVHLIYNSOZOO-SWOBOCGESA-N- Molecular formula
- C27H34O11
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.2101119
Overview
Arctiin is a glycoside and a lignan.
Names & identifiers
- Preferred name
- Arctiin
- IUPAC
- (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
- English name
- Arctiin
- Molecular formula
- C27H34O11
- Molecular weight
- 534.55
Names & synonyms
Arctiin20362-31-6Arctigenin-4-glucosideTM5RQ949K7DTXSID20942519NSC-315527(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-{[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl}oxolan-2-one2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)-(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-oneNSC315527(3R,4R)-4-((3,4-dimethoxyphenyl)methyl)-3-((3-methoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl)oxolan-2-oneRefChem:28095
Show more names
NSC 315527ArctinArctlinARCTIIN(P)Arctiin-RM(?)-ArctiinArctiin, >=98%
DTXCID101511516(-)-ArctiinMFCD00870630CHEBI:807932(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-(3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3-methoxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl)dihydrofuran-2(3H)-oneArctiiBRD-K02568760-001-01-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 753
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 107 to · 107.0 to 111.0 °C
- Boiling point
- 756.4 · 756.4±60.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- White to off-white solid.
- pka
- 12.83 · 12.83±0.70(Predicted)
- color
- White to Off-White
- λmax
- 278 nm · 278nm(EtOH)(lit.)
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- Cosmetics Ingredients Functions
- ANTIOXIDANT
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29389090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesArctiin is a phytochemical acting as a UV filter. It protects against UVB radiation exposure.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
成都普菲德生物技术有限公司028-82610909 13388174823 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
深圳虹彩祥根生物科技有限公司+86-0755-89668383 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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